[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C20H25N3O3S — CID 122261417

IUPAC[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)C3(c4cccs4)CCCC3)C2)n1
InChIInChI=1S/C20H25N3O3S/c1-25-19-21-11-8-17(22-19)26-15-6-4-12-23(14-15)18(24)20(9-2-3-10-20)16-7-5-13-27-16/h5,7-8,11,13,15H,2-4,6,9-10,12,14H2,1H3
InChIKeyZHKUHNLTRDCNIX-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.43
Rot. Bonds5

About [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 122261417) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID122261417
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)C3(c4cccs4)CCCC3)C2)n1
InChIInChI=1S/C20H25N3O3S/c1-25-19-21-11-8-17(22-19)26-15-6-4-12-23(14-15)18(24)20(9-2-3-10-20)16-7-5-13-27-16/h5,7-8,11,13,15H,2-4,6,9-10,12,14H2,1H3
InChIKeyZHKUHNLTRDCNIX-UHFFFAOYSA-N
XLogP3.43
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122260878
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90637462
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90638767
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 122261194
(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 122247258
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 122261417) is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is COc1nccc(OC2CCCN(C(=O)C3(c4cccs4)CCCC3)C2)n1.
What is the InChIKey of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is ZHKUHNLTRDCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-25-19-21-11-8-17(22-19)26-15-6-4-12-23(14-15)18(24)20(9-2-3-10-20)16-7-5-13-27-16/h5,7-8,11,13,15H,2-4,6,9-10,12,14H2,1H3.
What are the key properties of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 387.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 122261417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).